Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7009300
Preview
| Coordinates | 7009300.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C11 H13 Br4 Cu2 N7 O |
|---|---|
| Calculated formula | C11 H13 Br4 Cu2 N7 O |
| SMILES | c1cccc2C(N)=[N]([Cu]([n]12)(Br)Br)[N]1=C(c2cncc[n]2[Cu]1(Br)Br)N.O |
| Title of publication | Extended one- and two-dimensional copper(II) complexes with bridging (N‒N) diazine ligands: structural and magnetic studies † |
| Authors of publication | Xu, Zhiqiang; White, Stephen; Thompson, Laurence K.; Miller, D. O.; Ohba, Masaaki; Ōkawa, Hisashi; Wilson, Claire; Howard, Judith A. K. |
| Journal of publication | Journal of the Chemical Society, Dalton Transactions |
| Year of publication | 2000 |
| Journal issue | 11 |
| Pages of publication | 1751 |
| a | 27.26 ± 0.004 Å |
| b | 8.688 ± 0.008 Å |
| c | 16.644 ± 0.005 Å |
| α | 90° |
| β | 100.45 ± 0.02° |
| γ | 90° |
| Cell volume | 3876 ± 4 Å3 |
| Cell temperature | 299.2 K |
| Ambient diffraction temperature | 299.2 K |
| Number of distinct elements | 6 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.1612 |
| Residual factor for significantly intense reflections | 0.049 |
| Weighted residual factors for all reflections | 0.058 |
| Weighted residual factors for all reflections included in the refinement | 0.048 |
| Goodness-of-fit parameter for all reflections | 1.23 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.44 |
| Diffraction radiation wavelength | 0.7107 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 208361 (current) | 2018-06-14 | cif/7/00/ Updating space group information in entries 7009299, 7009300. |
7009300.cif |
| 206958 | 2018-03-15 | Fixing many Z values and formulae detected when treating files that initially displayed Z' < 1 |
7009300.cif |
| 176453 | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7. |
7009300.cif |
| 129439 | 2015-01-07 | cod/ (robertas@burundukas) Correcting values of _exptl_crystal_density_meas and _exptl_crystal_density_method data items: codsql "select codid from validation where message like '%\\'_exptl_crystal_density_meas\\' value \"not measured\" is %'" -NB \ | codid2file \ | xargs perl -i -pe "s/_exptl_crystal_density_meas\\s+'not +measured'/_exptl_crystal_density_meas ?/i; \ s/_exptl_crystal_density_method\\s+('not +measured'|\\?|none)/_exptl_crystal_density_method ./i" |
7009300.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7009300.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7009300.cif |
| 3896 | 2010-12-08 | cif/7/ Adding CIFs with data from Dalton-Trans-2004-2000/. |
7009300.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.